N-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H15FN4O3 — CID 10712309

IUPACN-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESC#Cc1cnn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1
InChIInChI=1S/C17H15FN4O3/c1-3-12-7-20-22(9-12)16-5-4-13(6-15(16)18)21-10-14(25-17(21)24)8-19-11(2)23/h1,4-7,9,14H,8,10H2,2H3,(H,19,23)/t14-/m0/s1
InChIKeyOFQJYLHHQZOYDI-AWEZNQCLSA-N
MW342.33 g/mol
LogP1.45
Rot. Bonds4

About N-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10712309) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10712309
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC NameN-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESC#Cc1cnn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1
InChIInChI=1S/C17H15FN4O3/c1-3-12-7-20-22(9-12)16-5-4-13(6-15(16)18)21-10-14(25-17(21)24)8-19-11(2)23/h1,4-7,9,14H,8,10H2,2H3,(H,19,23)/t14-/m0/s1
InChIKeyOFQJYLHHQZOYDI-AWEZNQCLSA-N
XLogP1.45
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10712309) is N-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is C#Cc1cnn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1.
What is the InChIKey of N-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is OFQJYLHHQZOYDI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-3-12-7-20-22(9-12)16-5-4-13(6-15(16)18)21-10-14(25-17(21)24)8-19-11(2)23/h1,4-7,9,14H,8,10H2,2H3,(H,19,23)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 342.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-(4-ethynylpyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10712309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).